3-ethoxy-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propan-1-amine

C15H21N3OS — CID 82102961

IUPAC3-ethoxy-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propan-1-amine
SMILESCCOCCCNCCc1nc(-c2ccccn2)cs1
InChIInChI=1S/C15H21N3OS/c1-2-19-11-5-8-16-10-7-15-18-14(12-20-15)13-6-3-4-9-17-13/h3-4,6,9,12,16H,2,5,7-8,10-11H2,1H3
InChIKeyRZHRFQNYJOBAKV-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.76
Rot. Bonds9

About 3-ethoxy-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propan-1-amine

3-ethoxy-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propan-1-amine (PubChem CID 82102961) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 3-ethoxy-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propan-1-amine
PubChem CID82102961
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name3-ethoxy-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propan-1-amine
SMILESCCOCCCNCCc1nc(-c2ccccn2)cs1
InChIInChI=1S/C15H21N3OS/c1-2-19-11-5-8-16-10-7-15-18-14(12-20-15)13-6-3-4-9-17-13/h3-4,6,9,12,16H,2,5,7-8,10-11H2,1H3
InChIKeyRZHRFQNYJOBAKV-UHFFFAOYSA-N
XLogP2.76
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-ethoxy-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pentan-1-amine
CID 82102804
methyl N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]carbamate
CID 110317565
N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]butane-1-sulfonamide
CID 110317579
N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 110317508
N-(oxolan-2-ylmethyl)-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanamine
CID 82103423
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-3-propan-2-yloxypropan-1-amine
CID 82102962
2-(methoxymethyl)-4-pyridin-2-yl-1,3-thiazole
CID 116969991
2-(methylamino)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 119882616
N-[2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]ethyl]-3-methoxypropan-1-amine
CID 82103057
N-[2-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine
CID 82103175
3-phenyl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propane-1-sulfonamide
CID 110317613
2-hydroxy-2-phenyl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 111520424

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of 3-ethoxy-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propan-1-amine (CID 82102961) is 3-ethoxy-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for 3-ethoxy-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propan-1-amine is CCOCCCNCCc1nc(-c2ccccn2)cs1.
What is the InChIKey of 3-ethoxy-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propan-1-amine?
The InChIKey is RZHRFQNYJOBAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-2-19-11-5-8-16-10-7-15-18-14(12-20-15)13-6-3-4-9-17-13/h3-4,6,9,12,16H,2,5,7-8,10-11H2,1H3.
What are the key properties of 3-ethoxy-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propan-1-amine?
3-ethoxy-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propan-1-amine has a molecular weight of 291.42 g/mol, XLogP of 2.76, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 82102961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).